General Information of the Compound
| Compound ID |
CP0487180
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-tert-Butyl-2-[(R)-4-(3-chloro-pyridin-2-yl)-2-methyl-piperazin-1-yl]-benzooxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25ClN4O
|
||||||||||||||||||
| Molecular Weight |
384.911
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2cc(ccc2o1)C(C)(C)C)c1ncccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClN4O/c1-14-13-25(19-16(22)6-5-9-23-19)10-11-26(14)20-24-17-12-15(21(2,3)4)7-8-18(17)27-20/h5-9,12,14H,10-11,13H2,1-4H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTGCLICKOFIMIH-CQSZACIVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound